N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

C26H27N5O — CID 164624822

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C26H27N5O/c32-26(28-16-19-10-13-31(14-11-19)18-20-5-2-1-3-6-20)25-23-15-21(8-9-24(23)29-30-25)22-7-4-12-27-17-22/h1-9,12,15,17,19H,10-11,13-14,16,18H2,(H,28,32)(H,29,30)
InChIKeyDXZUJGHPCQSCHE-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.27
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 164624822) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
PubChem CID164624822
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C26H27N5O/c32-26(28-16-19-10-13-31(14-11-19)18-20-5-2-1-3-6-20)25-23-15-21(8-9-24(23)29-30-25)22-7-4-12-27-17-22/h1-9,12,15,17,19H,10-11,13-14,16,18H2,(H,28,32)(H,29,30)
InChIKeyDXZUJGHPCQSCHE-UHFFFAOYSA-N
XLogP4.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide (CID 164624822) is N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is O=C(NCC1CCN(Cc2ccccc2)CC1)c1n[nH]c2ccc(-c3cccnc3)cc12.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
The InChIKey is DXZUJGHPCQSCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-26(28-16-19-10-13-31(14-11-19)18-20-5-2-1-3-6-20)25-23-15-21(8-9-24(23)29-30-25)22-7-4-12-27-17-22/h1-9,12,15,17,19H,10-11,13-14,16,18H2,(H,28,32)(H,29,30).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 164624822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).